Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL190400

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(C)Cc1cc2c(N)ncnc2nc1-c1ccc(N(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL190400
Phase Preclinical
Structure Type MOL
InChI Key PLPVTHZVWWMXSP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

321.4
MW (Da)
3.54
ALogP
5
HBA
1
HBD
67.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23N5
MW 321.43
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.60

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adenosine kinase
CHEMBL3589
 IC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Adenosine kinase IC50 = 200.0 nM 6.7 Inhibitory concentration against Adenosine Kinase (enzyme) 15911258

Literature References

PubMed DOI Target Context # Activities
15911258 10.1016/j.bmcl.2005.03.098 Adenosine kinase 2

Data from ChEMBL 36 via Core Engine